Home Boronic acids 5-Cyano-2-(trifluoromethoxy)phenylboronic acid

5-Cyano-2-(trifluoromethoxy)phenylboronic acid

CAS No.:
1072946-64-5
Catalog Number:
AG007ES3
Molecular Formula:
C8H5BF3NO3
Molecular Weight:
230.9364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG007ES3
Chemical Name:
5-Cyano-2-(trifluoromethoxy)phenylboronic acid
CAS Number:
1072946-64-5
Molecular Formula:
C8H5BF3NO3
Molecular Weight:
230.9364
MDL Number:
MFCD11053857
IUPAC Name:
[5-cyano-2-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF3NO3/c10-8(11,12)16-7-2-1-5(4-13)3-6(7)9(14)15/h1-3,14-15H
InChI Key:
SZPKBNMEIASWNB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.937g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties